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path: root/sim/src/tests/heteroatom_organics/test_C4H8PH.mmp
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mmpformat 050502 required; 050706 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (1.000000, 0.000000, 0.000000, 0.000000) (6.228079) (-0.037000, -0.063000, -0.031000) (1.000000)
egroup (View Data)
group (C4H8PH)
info opengroup open = True
mol (C4H8PH.pdb) def
atom 1 (15) (383, 1793, -17) def
atom 2 (6) (1249, 137, -285) def
bond1 1
atom 3 (6) (-1461, 1374, 521) def
bond1 1
atom 4 (6) (-1225, 115, -480) def
bond1 3
atom 5 (6) (84, -828, 215) def
bond1 2 4
atom 6 (1) (550, 2323, -1092) def
bond1 1
atom 7 (1) (1987, 6, 885) def
bond1 2
atom 8 (1) (1706, 78, -657) def
bond1 2
atom 9 (1) (-1695, 839, 1177) def
bond1 3
atom 10 (1) (-1575, 1903, -134) def
bond1 3
atom 11 (1) (-2198, -1153, -106) def
bond1 4
atom 12 (1) (-1404, -44, -1288) def
bond1 4
atom 13 (1) (224, -1948, 203) def
bond1 5
atom 14 (1) (255, -1380, 1270) def
bond1 5
egroup (C4H8PH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8PH